SCHEMBL20528673

SCHEMBL20528673

Cc1cc(F)c(-c2noc(C(F)(F)F)n2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.45
HDAC1 Q13547 13/20 0.45
HDAC5 Q9UQL6 9/20 0.45
HDAC8 Q9BY41 5/20 0.45
HDAC4 P56524 7/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29362560 0.81 HDAC1 (0.59) HDAC6HDAC1HDAC5HDAC8
SCHEMBL19476116 0.81 HDAC1 (0.59) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528691 0.79 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528682 0.76 HDAC1 (0.51) HDAC6HDAC1HDAC5HDAC8
SCHEMBL20528684 0.75 HDAC1 (0.46) HDAC6HDAC1HDAC5HDAC8
SCHEMBL18760105 0.74 HDAC4 (0.47) HDAC6HDAC1HDAC8HDAC4
SCHEMBL20528695 0.74 HDAC4 (0.57) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL18608950 0.74 HDAC4 (0.67) HDAC6HDAC1HDAC8HDAC4
SCHEMBL12377809 0.72 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4
SCHEMBL30404738 0.72 S1PR1 (0.54) HDAC6HDAC1HDAC5HDAC8HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018184988-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-10-11 WO disclosed